Chem 1h Benzimidazole 12 Diamine Dsrpl

Compound 108
  CheckMol                        TMF02:r0:m0
MF=C7H8N4 MW=148.17
 11 12  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.0138   -1.0945   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.7604    1.3019   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3964   -0.4724   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.7143   -2.5461   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2351    1.0023   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.3111    2.7305   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.6982   -1.2097   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2489    2.1198   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3249    3.8480   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7996    3.5484   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2 02  0  1  0  0
  1  3 01  0  1  0  0
  2  4 01  0  1  0  0
  2  5  1  0  0  0  0
  3  6 02  0  2  0  0
  3  7 01  0  1  0  0
  4  8  1  0  0  0  0
  6  9 01  0  1  0  0
  7 10 02  0  1  0  0
  9 11 02  0  1  0  0
  4  6 01  0  1  0  0
 10 11 01  0  1  0  0
M  END

1H-benzimidazole-1,2-diamine

₹ 0.00 0.00

Chemical Name - 1H-benzimidazole-1,2-diamine
Mol Weight - 148.169
Smiles - Nc1nc(cccc2)c2n1N

Property Name	Property Value
Mol Name	1H-benzimidazole-1,2-diamine
Molweight	148.169
Monoisotopic Mass	148.074896
Clogp	0.9739
Clogs	-4.558
H Acceptors	4
H Donors	2
Total Surface Area	112.86
Relative Psa	0.42867
Polar Surface Area	69.86
Druglikeness	-1.7508
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.54545
Molecular Complexity	0.74044
Fragments	1
Non H Atoms	11
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	1
Aromatic Nitrogens	2
Basic Nitrogens	1
Smiles	Nc1nc(cccc2)c2n1N
InChIKey	InChI=1S/C7H8N4/c8-7-10-5-3-1-2-4-6(5)11(7)9/h1-4H,9H2,(H2,8,10)
InChI	JPVWRXBVNNXNND-UHFFFAOYSA-N

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1 - 1H-benzimidazole-1,2-diamine
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1H-benzimidazole-1,2-diamine